2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

C14H20N4O4 — CID 44820965

IUPAC2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCn1cc(NC(=O)C2CCCCC2C(=O)O)c(C(N)=O)n1
InChIInChI=1S/C14H20N4O4/c1-2-18-7-10(11(17-18)12(15)19)16-13(20)8-5-3-4-6-9(8)14(21)22/h7-9H,2-6H2,1H3,(H2,15,19)(H,16,20)(H,21,22)
InChIKeyZFIUTISUNPNCGM-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.83
Rot. Bonds5

About 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 44820965) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID44820965
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCn1cc(NC(=O)C2CCCCC2C(=O)O)c(C(N)=O)n1
InChIInChI=1S/C14H20N4O4/c1-2-18-7-10(11(17-18)12(15)19)16-13(20)8-5-3-4-6-9(8)14(21)22/h7-9H,2-6H2,1H3,(H2,15,19)(H,16,20)(H,21,22)
InChIKeyZFIUTISUNPNCGM-UHFFFAOYSA-N
XLogP0.83
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 44820965) is 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is CCn1cc(NC(=O)C2CCCCC2C(=O)O)c(C(N)=O)n1.
What is the InChIKey of 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZFIUTISUNPNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-2-18-7-10(11(17-18)12(15)19)16-13(20)8-5-3-4-6-9(8)14(21)22/h7-9H,2-6H2,1H3,(H2,15,19)(H,16,20)(H,21,22).
What are the key properties of 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 44820965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).